SCHEMBL1412433

SCHEMBL1412433

CCOC(=O)c1c(CC)nnn1Cc1ccc(OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.54
MAPT P10636 1/20 0.48
PDE8B O95263 1/20 0.47
AKR1C3 P42330 6/20 0.46
POLB P06746 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ALOX15 P16050 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP19A1 P11511 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3731878 0.93 UCHL1 (0.54) UCHL1MAPTPDE8BAKR1C3POLB
SCHEMBL4221650 0.88 UCHL1 (0.56) UCHL1MAPTPDE8BAKR1C3POLB
SCHEMBL5517220 0.86 UCHL1 (0.55) UCHL1MAPTPOLBRXFP1ALOX15
SCHEMBL29067895 0.86 AKR1C3 (0.57) UCHL1MAPTPDE8BAKR1C3POLB
SCHEMBL7830775 0.84 UCHL1 (0.53) UCHL1MAPTPDE8BAKR1C3POLB
SCHEMBL22816201 0.84 UCHL1 (0.49) UCHL1MAPTPDE8BAKR1C3POLB
SCHEMBL3730522 0.83 UCHL1 (0.53) UCHL1MAPTPDE8BAKR1C3POLB
SCHEMBL3800033 0.83 UCHL1 (0.54) UCHL1MAPTPOLBL3MBTL1TUBB4A
SCHEMBL31728363 0.82 UCHL1 (0.52) UCHL1MAPTPDE8BAKR1C3POLB
SCHEMBL1412486 0.82 UCHL1 (0.52) UCHL1MAPTPDE8BAKR1C3POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1991542-B1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA LTD (GB) 2011-03-16 EP disclosed
US-20100004128-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-01-07 US disclosed
US-20090042726-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-12 US disclosed
EP-1991542-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS Syngenta Limited (GB) 2008-11-19 EP disclosed
EP-1965644-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2008-09-10 EP disclosed
WO-2007096576-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS SYNGENTA LIMITED (GB) 2007-08-30 WO disclosed
WO-2007071900-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2007-06-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100004128-A1 HERBICIDAL ISOXAZOLINE COMPOUNDS CYP4X1, RDX, HAX1 UCHL1 764/4885MAPT 4065/4885PDE8B 1342/4885
US-20090042726-A1 Novel Herbicides DDT, CBR3, CBR1 UCHL1 1082/4885MAPT 3990/4885PDE8B 4021/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.